4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide

C13H26N2O2S2 — CID 106073825

IUPAC4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
SMILESCC1(CNS(=O)(=O)CCCCNC2CC2)CCCS1
InChIInChI=1S/C13H26N2O2S2/c1-13(7-4-9-18-13)11-15-19(16,17)10-3-2-8-14-12-5-6-12/h12,14-15H,2-11H2,1H3
InChIKeyUIMZMTLSTNHBCD-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.72
Rot. Bonds9

About 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide (PubChem CID 106073825) has the molecular formula C13H26N2O2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
PubChem CID106073825
Molecular FormulaC13H26N2O2S2
Molecular Weight306.50 g/mol
Exact Mass306.14
IUPAC Name4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
SMILESCC1(CNS(=O)(=O)CCCCNC2CC2)CCCS1
InChIInChI=1S/C13H26N2O2S2/c1-13(7-4-9-18-13)11-15-19(16,17)10-3-2-8-14-12-5-6-12/h12,14-15H,2-11H2,1H3
InChIKeyUIMZMTLSTNHBCD-UHFFFAOYSA-N
XLogP1.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
CID 106071753
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 106073795
5-[(cyclopropylamino)methyl]-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073745
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
CID 106076855
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
N-[(2-methylthiolan-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 80723573
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
CID 106057650
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide (CID 106073825) is 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide is CC1(CNS(=O)(=O)CCCCNC2CC2)CCCS1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is UIMZMTLSTNHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S2/c1-13(7-4-9-18-13)11-15-19(16,17)10-3-2-8-14-12-5-6-12/h12,14-15H,2-11H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 306.50 g/mol, XLogP of 1.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 106073825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).